USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.65) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -3.61 K(o=-3.6,f=-6.2!) USER MOD Single : A 15 GLN : amide:sc= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 163:sc= -5.25! (180deg=-6.38!) USER MOD Single : A 23 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.4!) USER MOD Single : A 27 ASN : amide:sc= 0.742 K(o=0.74,f=-2.7!) USER MOD Single : A 29 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.14) USER MOD Single : A 34 THR OG1 : rot -25:sc= -0.117 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00962 X(o=-0.0096,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.053 4.365 9.291 1.00 0.00 N ATOM 2 CA GLY A 1 13.774 5.790 9.322 1.00 0.00 C ATOM 3 C GLY A 1 12.782 6.131 10.437 1.00 0.00 C ATOM 4 O GLY A 1 12.115 5.246 10.971 1.00 0.00 O ATOM 0 H1 GLY A 1 15.034 4.197 9.594 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.402 3.870 9.934 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.923 4.007 8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.701 6.342 9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.369 6.106 8.361 1.00 0.00 H new ATOM 8 N SER A 2 12.717 7.415 10.755 1.00 0.00 N ATOM 9 CA SER A 2 11.818 7.884 11.796 1.00 0.00 C ATOM 10 C SER A 2 10.498 8.347 11.178 1.00 0.00 C ATOM 11 O SER A 2 9.435 7.827 11.515 1.00 0.00 O ATOM 12 CB SER A 2 12.454 9.019 12.602 1.00 0.00 C ATOM 13 OG SER A 2 12.198 8.889 13.998 1.00 0.00 O ATOM 0 H SER A 2 13.272 8.146 10.310 1.00 0.00 H new ATOM 0 HA SER A 2 11.622 7.056 12.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.530 9.027 12.430 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.067 9.975 12.250 1.00 0.00 H new ATOM 0 HG SER A 2 12.621 9.631 14.479 1.00 0.00 H new ATOM 19 N SER A 3 10.607 9.319 10.285 1.00 0.00 N ATOM 20 CA SER A 3 9.435 9.857 9.617 1.00 0.00 C ATOM 21 C SER A 3 9.550 9.646 8.106 1.00 0.00 C ATOM 22 O SER A 3 8.688 9.016 7.496 1.00 0.00 O ATOM 23 CB SER A 3 9.255 11.343 9.933 1.00 0.00 C ATOM 24 OG SER A 3 8.104 11.889 9.294 1.00 0.00 O ATOM 0 H SER A 3 11.490 9.748 10.008 1.00 0.00 H new ATOM 0 HA SER A 3 8.558 9.326 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.169 11.476 11.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.141 11.891 9.614 1.00 0.00 H new ATOM 0 HG SER A 3 8.023 12.839 9.522 1.00 0.00 H new ATOM 30 N GLY A 4 10.623 10.186 7.545 1.00 0.00 N ATOM 31 CA GLY A 4 10.862 10.064 6.117 1.00 0.00 C ATOM 32 C GLY A 4 10.897 11.440 5.448 1.00 0.00 C ATOM 33 O GLY A 4 10.176 12.350 5.854 1.00 0.00 O ATOM 0 H GLY A 4 11.336 10.709 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.807 9.548 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.079 9.455 5.664 1.00 0.00 H new ATOM 37 N SER A 5 11.744 11.549 4.435 1.00 0.00 N ATOM 38 CA SER A 5 11.882 12.798 3.706 1.00 0.00 C ATOM 39 C SER A 5 10.937 12.809 2.502 1.00 0.00 C ATOM 40 O SER A 5 11.271 12.281 1.442 1.00 0.00 O ATOM 41 CB SER A 5 13.327 13.012 3.249 1.00 0.00 C ATOM 42 OG SER A 5 13.585 14.373 2.915 1.00 0.00 O ATOM 0 H SER A 5 12.342 10.793 4.102 1.00 0.00 H new ATOM 0 HA SER A 5 11.616 13.616 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.008 12.697 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.531 12.381 2.384 1.00 0.00 H new ATOM 0 HG SER A 5 14.518 14.469 2.630 1.00 0.00 H new ATOM 48 N SER A 6 9.778 13.416 2.707 1.00 0.00 N ATOM 49 CA SER A 6 8.782 13.503 1.652 1.00 0.00 C ATOM 50 C SER A 6 8.361 12.099 1.213 1.00 0.00 C ATOM 51 O SER A 6 9.170 11.344 0.675 1.00 0.00 O ATOM 52 CB SER A 6 9.315 14.295 0.456 1.00 0.00 C ATOM 53 OG SER A 6 9.185 15.701 0.647 1.00 0.00 O ATOM 0 H SER A 6 9.506 13.853 3.588 1.00 0.00 H new ATOM 0 HA SER A 6 7.913 14.030 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.364 14.046 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.775 14.000 -0.444 1.00 0.00 H new ATOM 0 HG SER A 6 9.538 16.172 -0.137 1.00 0.00 H new ATOM 59 N GLY A 7 7.096 11.791 1.459 1.00 0.00 N ATOM 60 CA GLY A 7 6.558 10.491 1.096 1.00 0.00 C ATOM 61 C GLY A 7 5.317 10.160 1.927 1.00 0.00 C ATOM 62 O GLY A 7 5.429 9.741 3.078 1.00 0.00 O ATOM 0 H GLY A 7 6.428 12.419 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.303 10.482 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.317 9.724 1.248 1.00 0.00 H new ATOM 66 N HIS A 8 4.161 10.361 1.311 1.00 0.00 N ATOM 67 CA HIS A 8 2.900 10.089 1.980 1.00 0.00 C ATOM 68 C HIS A 8 2.848 8.619 2.401 1.00 0.00 C ATOM 69 O HIS A 8 3.092 8.293 3.562 1.00 0.00 O ATOM 70 CB HIS A 8 1.718 10.494 1.096 1.00 0.00 C ATOM 71 CG HIS A 8 0.750 11.442 1.763 1.00 0.00 C ATOM 72 ND1 HIS A 8 1.149 12.401 2.678 1.00 0.00 N ATOM 73 CD2 HIS A 8 -0.603 11.569 1.637 1.00 0.00 C ATOM 74 CE1 HIS A 8 0.076 13.068 3.079 1.00 0.00 C ATOM 75 NE2 HIS A 8 -1.008 12.550 2.433 1.00 0.00 N ATOM 0 H HIS A 8 4.071 10.709 0.356 1.00 0.00 H new ATOM 0 HA HIS A 8 2.827 10.693 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.100 10.960 0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.180 9.596 0.792 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.237 10.972 0.998 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.062 13.879 3.792 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.972 12.865 2.544 1.00 0.00 H new ATOM 83 N PHE A 9 2.530 7.771 1.434 1.00 0.00 N ATOM 84 CA PHE A 9 2.443 6.343 1.690 1.00 0.00 C ATOM 85 C PHE A 9 3.710 5.625 1.222 1.00 0.00 C ATOM 86 O PHE A 9 3.664 4.814 0.299 1.00 0.00 O ATOM 87 CB PHE A 9 1.249 5.817 0.891 1.00 0.00 C ATOM 88 CG PHE A 9 -0.061 6.556 1.172 1.00 0.00 C ATOM 89 CD1 PHE A 9 -0.622 6.498 2.410 1.00 0.00 C ATOM 90 CD2 PHE A 9 -0.665 7.269 0.184 1.00 0.00 C ATOM 91 CE1 PHE A 9 -1.838 7.184 2.671 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.881 7.955 0.445 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.442 7.897 1.683 1.00 0.00 C ATOM 0 H PHE A 9 2.329 8.045 0.472 1.00 0.00 H new ATOM 0 HA PHE A 9 2.328 6.163 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.475 5.891 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.113 4.759 1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.143 5.931 3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.220 7.314 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.283 7.139 3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.360 8.522 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.367 8.417 1.881 1.00 0.00 H new ATOM 103 N GLN A 10 4.813 5.948 1.882 1.00 0.00 N ATOM 104 CA GLN A 10 6.091 5.344 1.545 1.00 0.00 C ATOM 105 C GLN A 10 6.250 4.003 2.265 1.00 0.00 C ATOM 106 O GLN A 10 6.172 2.946 1.641 1.00 0.00 O ATOM 107 CB GLN A 10 7.249 6.287 1.880 1.00 0.00 C ATOM 108 CG GLN A 10 8.532 5.502 2.160 1.00 0.00 C ATOM 109 CD GLN A 10 9.769 6.344 1.846 1.00 0.00 C ATOM 110 OE1 GLN A 10 10.074 6.645 0.703 1.00 0.00 O ATOM 111 NE2 GLN A 10 10.463 6.707 2.921 1.00 0.00 N ATOM 0 H GLN A 10 4.848 6.620 2.648 1.00 0.00 H new ATOM 0 HA GLN A 10 6.113 5.163 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.413 6.976 1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.991 6.891 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.553 5.194 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.545 4.593 1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.152 6.421 3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.306 7.272 2.817 1.00 0.00 H new ATOM 120 N VAL A 11 6.470 4.090 3.569 1.00 0.00 N ATOM 121 CA VAL A 11 6.641 2.897 4.380 1.00 0.00 C ATOM 122 C VAL A 11 5.635 1.834 3.934 1.00 0.00 C ATOM 123 O VAL A 11 6.010 0.696 3.657 1.00 0.00 O ATOM 124 CB VAL A 11 6.519 3.251 5.863 1.00 0.00 C ATOM 125 CG1 VAL A 11 6.752 2.020 6.742 1.00 0.00 C ATOM 126 CG2 VAL A 11 7.479 4.382 6.238 1.00 0.00 C ATOM 0 H VAL A 11 6.534 4.968 4.084 1.00 0.00 H new ATOM 0 HA VAL A 11 7.638 2.480 4.240 1.00 0.00 H new ATOM 0 HB VAL A 11 5.502 3.602 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.660 2.300 7.791 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.011 1.257 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.751 1.626 6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.372 4.614 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.504 4.071 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.246 5.268 5.647 1.00 0.00 H new ATOM 136 N GLN A 12 4.376 2.243 3.879 1.00 0.00 N ATOM 137 CA GLN A 12 3.313 1.340 3.472 1.00 0.00 C ATOM 138 C GLN A 12 3.612 0.758 2.089 1.00 0.00 C ATOM 139 O GLN A 12 3.498 -0.449 1.882 1.00 0.00 O ATOM 140 CB GLN A 12 1.956 2.047 3.488 1.00 0.00 C ATOM 141 CG GLN A 12 1.543 2.409 4.916 1.00 0.00 C ATOM 142 CD GLN A 12 1.244 3.905 5.038 1.00 0.00 C ATOM 143 OE1 GLN A 12 1.583 4.704 4.180 1.00 0.00 O ATOM 144 NE2 GLN A 12 0.593 4.238 6.149 1.00 0.00 N ATOM 0 H GLN A 12 4.068 3.188 4.110 1.00 0.00 H new ATOM 0 HA GLN A 12 3.266 0.519 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.005 2.950 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.200 1.402 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.662 1.834 5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.339 2.136 5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.339 3.519 6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.348 5.213 6.324 1.00 0.00 H new ATOM 153 N LEU A 13 3.987 1.644 1.178 1.00 0.00 N ATOM 154 CA LEU A 13 4.303 1.233 -0.179 1.00 0.00 C ATOM 155 C LEU A 13 5.500 0.280 -0.154 1.00 0.00 C ATOM 156 O LEU A 13 5.573 -0.653 -0.952 1.00 0.00 O ATOM 157 CB LEU A 13 4.510 2.456 -1.075 1.00 0.00 C ATOM 158 CG LEU A 13 3.246 3.049 -1.702 1.00 0.00 C ATOM 159 CD1 LEU A 13 3.570 4.321 -2.488 1.00 0.00 C ATOM 160 CD2 LEU A 13 2.523 2.012 -2.563 1.00 0.00 C ATOM 0 H LEU A 13 4.079 2.645 1.353 1.00 0.00 H new ATOM 0 HA LEU A 13 3.468 0.685 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.000 3.233 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.196 2.182 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 13 2.565 3.331 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.655 4.723 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.008 5.061 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.278 4.087 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.628 2.459 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.185 1.677 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.240 1.160 -1.945 1.00 0.00 H new ATOM 172 N GLU A 14 6.409 0.548 0.772 1.00 0.00 N ATOM 173 CA GLU A 14 7.599 -0.274 0.912 1.00 0.00 C ATOM 174 C GLU A 14 7.244 -1.617 1.552 1.00 0.00 C ATOM 175 O GLU A 14 7.526 -2.672 0.986 1.00 0.00 O ATOM 176 CB GLU A 14 8.675 0.452 1.723 1.00 0.00 C ATOM 177 CG GLU A 14 9.570 -0.544 2.463 1.00 0.00 C ATOM 178 CD GLU A 14 10.970 0.034 2.681 1.00 0.00 C ATOM 179 OE1 GLU A 14 11.041 1.233 3.028 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.936 -0.737 2.496 1.00 0.00 O ATOM 0 H GLU A 14 6.345 1.323 1.433 1.00 0.00 H new ATOM 0 HA GLU A 14 8.005 -0.463 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.282 1.068 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.203 1.124 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.123 -0.796 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.640 -1.470 1.892 1.00 0.00 H new ATOM 187 N GLN A 15 6.631 -1.535 2.724 1.00 0.00 N ATOM 188 CA GLN A 15 6.235 -2.731 3.447 1.00 0.00 C ATOM 189 C GLN A 15 5.365 -3.624 2.559 1.00 0.00 C ATOM 190 O GLN A 15 5.557 -4.839 2.517 1.00 0.00 O ATOM 191 CB GLN A 15 5.507 -2.372 4.744 1.00 0.00 C ATOM 192 CG GLN A 15 6.501 -2.119 5.878 1.00 0.00 C ATOM 193 CD GLN A 15 5.875 -2.436 7.238 1.00 0.00 C ATOM 194 OE1 GLN A 15 5.927 -3.552 7.729 1.00 0.00 O ATOM 195 NE2 GLN A 15 5.281 -1.396 7.816 1.00 0.00 N ATOM 0 H GLN A 15 6.399 -0.658 3.191 1.00 0.00 H new ATOM 0 HA GLN A 15 7.135 -3.284 3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.894 -1.484 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.831 -3.181 5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.390 -2.733 5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.825 -1.079 5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.274 -0.489 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.832 -1.506 8.725 1.00 0.00 H new ATOM 204 N LEU A 16 4.428 -2.988 1.872 1.00 0.00 N ATOM 205 CA LEU A 16 3.529 -3.710 0.988 1.00 0.00 C ATOM 206 C LEU A 16 4.341 -4.387 -0.117 1.00 0.00 C ATOM 207 O LEU A 16 4.205 -5.588 -0.346 1.00 0.00 O ATOM 208 CB LEU A 16 2.433 -2.780 0.463 1.00 0.00 C ATOM 209 CG LEU A 16 1.387 -2.331 1.486 1.00 0.00 C ATOM 210 CD1 LEU A 16 0.547 -1.175 0.941 1.00 0.00 C ATOM 211 CD2 LEU A 16 0.520 -3.508 1.936 1.00 0.00 C ATOM 0 H LEU A 16 4.272 -1.981 1.910 1.00 0.00 H new ATOM 0 HA LEU A 16 3.012 -4.500 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.907 -1.892 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.919 -3.283 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 16 1.909 -1.960 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.188 -0.876 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.196 -0.330 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.033 -1.494 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.215 -3.162 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.006 -3.932 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.151 -4.271 2.393 1.00 0.00 H new ATOM 223 N ARG A 17 5.170 -3.587 -0.774 1.00 0.00 N ATOM 224 CA ARG A 17 6.004 -4.095 -1.849 1.00 0.00 C ATOM 225 C ARG A 17 6.536 -5.486 -1.498 1.00 0.00 C ATOM 226 O ARG A 17 6.544 -6.382 -2.340 1.00 0.00 O ATOM 227 CB ARG A 17 7.184 -3.159 -2.119 1.00 0.00 C ATOM 228 CG ARG A 17 7.712 -3.338 -3.544 1.00 0.00 C ATOM 229 CD ARG A 17 8.073 -1.989 -4.169 1.00 0.00 C ATOM 230 NE ARG A 17 7.840 -2.029 -5.630 1.00 0.00 N ATOM 231 CZ ARG A 17 8.446 -1.221 -6.510 1.00 0.00 C ATOM 232 NH1 ARG A 17 9.325 -0.304 -6.082 1.00 0.00 N ATOM 233 NH2 ARG A 17 8.173 -1.329 -7.817 1.00 0.00 N ATOM 0 H ARG A 17 5.281 -2.591 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 17 5.388 -4.154 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.874 -2.125 -1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.982 -3.359 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.590 -3.984 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.959 -3.836 -4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.473 -1.198 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.117 -1.752 -3.965 1.00 0.00 H new ATOM 0 HE ARG A 17 7.176 -2.715 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.532 -0.222 -5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.787 0.311 -6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.504 -2.027 -8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.634 -0.714 -8.487 1.00 0.00 H new ATOM 247 N SER A 18 6.967 -5.622 -0.253 1.00 0.00 N ATOM 248 CA SER A 18 7.499 -6.889 0.220 1.00 0.00 C ATOM 249 C SER A 18 6.408 -7.962 0.182 1.00 0.00 C ATOM 250 O SER A 18 6.630 -9.059 -0.327 1.00 0.00 O ATOM 251 CB SER A 18 8.062 -6.756 1.637 1.00 0.00 C ATOM 252 OG SER A 18 9.446 -7.088 1.694 1.00 0.00 O ATOM 0 H SER A 18 6.959 -4.876 0.443 1.00 0.00 H new ATOM 0 HA SER A 18 8.314 -7.185 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.919 -5.734 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.505 -7.407 2.311 1.00 0.00 H new ATOM 0 HG SER A 18 9.768 -6.989 2.614 1.00 0.00 H new ATOM 258 N MET A 19 5.254 -7.606 0.726 1.00 0.00 N ATOM 259 CA MET A 19 4.128 -8.524 0.760 1.00 0.00 C ATOM 260 C MET A 19 3.820 -9.066 -0.637 1.00 0.00 C ATOM 261 O MET A 19 3.173 -10.103 -0.776 1.00 0.00 O ATOM 262 CB MET A 19 2.897 -7.802 1.310 1.00 0.00 C ATOM 263 CG MET A 19 2.909 -7.786 2.840 1.00 0.00 C ATOM 264 SD MET A 19 1.509 -8.694 3.472 1.00 0.00 S ATOM 265 CE MET A 19 0.636 -7.378 4.305 1.00 0.00 C ATOM 0 H MET A 19 5.074 -6.694 1.147 1.00 0.00 H new ATOM 0 HA MET A 19 4.387 -9.363 1.406 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.871 -6.780 0.932 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.992 -8.296 0.955 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.835 -8.227 3.209 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.879 -6.758 3.201 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.392 -7.687 4.495 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.129 -7.156 5.251 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.637 -6.487 3.678 1.00 0.00 H new ATOM 275 N GLY A 20 4.299 -8.341 -1.637 1.00 0.00 N ATOM 276 CA GLY A 20 4.083 -8.736 -3.019 1.00 0.00 C ATOM 277 C GLY A 20 3.047 -7.834 -3.692 1.00 0.00 C ATOM 278 O GLY A 20 2.402 -8.237 -4.658 1.00 0.00 O ATOM 0 H GLY A 20 4.836 -7.482 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.024 -8.686 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.747 -9.772 -3.056 1.00 0.00 H new ATOM 282 N PHE A 21 2.921 -6.629 -3.154 1.00 0.00 N ATOM 283 CA PHE A 21 1.974 -5.666 -3.691 1.00 0.00 C ATOM 284 C PHE A 21 2.661 -4.708 -4.667 1.00 0.00 C ATOM 285 O PHE A 21 2.874 -3.540 -4.349 1.00 0.00 O ATOM 286 CB PHE A 21 1.431 -4.865 -2.506 1.00 0.00 C ATOM 287 CG PHE A 21 0.482 -5.656 -1.603 1.00 0.00 C ATOM 288 CD1 PHE A 21 -0.654 -6.196 -2.119 1.00 0.00 C ATOM 289 CD2 PHE A 21 0.774 -5.818 -0.285 1.00 0.00 C ATOM 290 CE1 PHE A 21 -1.536 -6.930 -1.282 1.00 0.00 C ATOM 291 CE2 PHE A 21 -0.107 -6.551 0.553 1.00 0.00 C ATOM 292 CZ PHE A 21 -1.243 -7.092 0.037 1.00 0.00 C ATOM 0 H PHE A 21 3.458 -6.298 -2.353 1.00 0.00 H new ATOM 0 HA PHE A 21 1.181 -6.184 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.269 -4.506 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.909 -3.986 -2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.886 -6.067 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.676 -5.389 0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.438 -7.359 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.125 -6.679 1.600 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.913 -7.650 0.674 1.00 0.00 H new ATOM 302 N LEU A 22 2.987 -5.239 -5.836 1.00 0.00 N ATOM 303 CA LEU A 22 3.645 -4.447 -6.861 1.00 0.00 C ATOM 304 C LEU A 22 2.591 -3.675 -7.657 1.00 0.00 C ATOM 305 O LEU A 22 2.577 -3.724 -8.886 1.00 0.00 O ATOM 306 CB LEU A 22 4.545 -5.330 -7.727 1.00 0.00 C ATOM 307 CG LEU A 22 5.293 -6.447 -6.995 1.00 0.00 C ATOM 308 CD1 LEU A 22 5.741 -5.988 -5.606 1.00 0.00 C ATOM 309 CD2 LEU A 22 4.450 -7.722 -6.933 1.00 0.00 C ATOM 0 H LEU A 22 2.808 -6.209 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 22 4.306 -3.709 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.934 -5.781 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.278 -4.693 -8.222 1.00 0.00 H new ATOM 0 HG LEU A 22 6.193 -6.684 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.270 -6.800 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.405 -5.129 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.868 -5.708 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.005 -8.500 -6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.520 -7.518 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.224 -8.058 -7.945 1.00 0.00 H new ATOM 321 N ASN A 23 1.733 -2.979 -6.925 1.00 0.00 N ATOM 322 CA ASN A 23 0.678 -2.198 -7.547 1.00 0.00 C ATOM 323 C ASN A 23 0.491 -0.893 -6.772 1.00 0.00 C ATOM 324 O ASN A 23 -0.606 -0.600 -6.298 1.00 0.00 O ATOM 325 CB ASN A 23 -0.652 -2.955 -7.528 1.00 0.00 C ATOM 326 CG ASN A 23 -1.489 -2.624 -8.765 1.00 0.00 C ATOM 327 OD1 ASN A 23 -1.036 -1.983 -9.699 1.00 0.00 O ATOM 328 ND2 ASN A 23 -2.732 -3.095 -8.719 1.00 0.00 N ATOM 0 H ASN A 23 1.747 -2.940 -5.906 1.00 0.00 H new ATOM 0 HA ASN A 23 0.967 -2.003 -8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.463 -4.028 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.209 -2.696 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.370 -2.927 -9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.047 -3.624 -7.906 1.00 0.00 H new ATOM 335 N ARG A 24 1.578 -0.143 -6.667 1.00 0.00 N ATOM 336 CA ARG A 24 1.547 1.124 -5.957 1.00 0.00 C ATOM 337 C ARG A 24 0.244 1.868 -6.255 1.00 0.00 C ATOM 338 O ARG A 24 -0.491 2.232 -5.338 1.00 0.00 O ATOM 339 CB ARG A 24 2.732 2.007 -6.354 1.00 0.00 C ATOM 340 CG ARG A 24 4.060 1.291 -6.098 1.00 0.00 C ATOM 341 CD ARG A 24 5.137 2.278 -5.645 1.00 0.00 C ATOM 342 NE ARG A 24 5.543 3.140 -6.777 1.00 0.00 N ATOM 343 CZ ARG A 24 6.338 4.211 -6.659 1.00 0.00 C ATOM 344 NH1 ARG A 24 6.819 4.559 -5.457 1.00 0.00 N ATOM 345 NH2 ARG A 24 6.654 4.935 -7.741 1.00 0.00 N ATOM 0 H ARG A 24 2.486 -0.389 -7.062 1.00 0.00 H new ATOM 0 HA ARG A 24 1.610 0.908 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.655 2.272 -7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.702 2.938 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.922 0.523 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.385 0.784 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.759 2.892 -4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.001 1.735 -5.262 1.00 0.00 H new ATOM 0 HE ARG A 24 5.195 2.903 -7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.579 4.008 -4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.425 5.375 -5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.289 4.671 -8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.260 5.751 -7.650 1.00 0.00 H new ATOM 359 N GLU A 25 -0.003 2.072 -7.541 1.00 0.00 N ATOM 360 CA GLU A 25 -1.205 2.765 -7.971 1.00 0.00 C ATOM 361 C GLU A 25 -2.401 2.334 -7.119 1.00 0.00 C ATOM 362 O GLU A 25 -3.136 3.175 -6.605 1.00 0.00 O ATOM 363 CB GLU A 25 -1.476 2.523 -9.457 1.00 0.00 C ATOM 364 CG GLU A 25 -1.394 3.830 -10.249 1.00 0.00 C ATOM 365 CD GLU A 25 0.042 4.357 -10.291 1.00 0.00 C ATOM 366 OE1 GLU A 25 0.528 4.764 -9.214 1.00 0.00 O ATOM 367 OE2 GLU A 25 0.620 4.340 -11.399 1.00 0.00 O ATOM 0 H GLU A 25 0.609 1.769 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.052 3.835 -7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.753 1.809 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.463 2.079 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.755 3.667 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.046 4.576 -9.795 1.00 0.00 H new ATOM 374 N ALA A 26 -2.557 1.024 -6.996 1.00 0.00 N ATOM 375 CA ALA A 26 -3.651 0.472 -6.215 1.00 0.00 C ATOM 376 C ALA A 26 -3.368 0.685 -4.726 1.00 0.00 C ATOM 377 O ALA A 26 -4.209 1.211 -4.000 1.00 0.00 O ATOM 378 CB ALA A 26 -3.834 -1.006 -6.567 1.00 0.00 C ATOM 0 H ALA A 26 -1.945 0.329 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.585 0.982 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.655 -1.421 -5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.061 -1.102 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.917 -1.550 -6.342 1.00 0.00 H new ATOM 384 N ASN A 27 -2.179 0.266 -4.317 1.00 0.00 N ATOM 385 CA ASN A 27 -1.774 0.404 -2.928 1.00 0.00 C ATOM 386 C ASN A 27 -2.114 1.814 -2.441 1.00 0.00 C ATOM 387 O ASN A 27 -2.638 1.986 -1.342 1.00 0.00 O ATOM 388 CB ASN A 27 -0.266 0.200 -2.771 1.00 0.00 C ATOM 389 CG ASN A 27 0.151 -1.192 -3.250 1.00 0.00 C ATOM 390 OD1 ASN A 27 -0.642 -2.117 -3.319 1.00 0.00 O ATOM 391 ND2 ASN A 27 1.437 -1.289 -3.575 1.00 0.00 N ATOM 0 H ASN A 27 -1.483 -0.169 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.302 -0.351 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.269 0.960 -3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.015 0.328 -1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.814 -2.177 -3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.046 -0.475 -3.494 1.00 0.00 H new ATOM 398 N LEU A 28 -1.800 2.788 -3.283 1.00 0.00 N ATOM 399 CA LEU A 28 -2.065 4.178 -2.951 1.00 0.00 C ATOM 400 C LEU A 28 -3.563 4.361 -2.698 1.00 0.00 C ATOM 401 O LEU A 28 -3.983 4.572 -1.562 1.00 0.00 O ATOM 402 CB LEU A 28 -1.508 5.103 -4.035 1.00 0.00 C ATOM 403 CG LEU A 28 -0.995 6.463 -3.557 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.534 6.508 -3.573 1.00 0.00 C ATOM 405 CD2 LEU A 28 -1.610 7.599 -4.376 1.00 0.00 C ATOM 0 H LEU A 28 -1.365 2.642 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.549 4.455 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.692 4.587 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.288 5.272 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.311 6.604 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.873 7.485 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.928 5.735 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.892 6.336 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.229 8.555 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.345 7.475 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.695 7.578 -4.270 1.00 0.00 H new ATOM 417 N GLN A 29 -4.328 4.273 -3.777 1.00 0.00 N ATOM 418 CA GLN A 29 -5.770 4.426 -3.686 1.00 0.00 C ATOM 419 C GLN A 29 -6.303 3.708 -2.444 1.00 0.00 C ATOM 420 O GLN A 29 -7.007 4.305 -1.631 1.00 0.00 O ATOM 421 CB GLN A 29 -6.457 3.914 -4.953 1.00 0.00 C ATOM 422 CG GLN A 29 -6.149 4.819 -6.148 1.00 0.00 C ATOM 423 CD GLN A 29 -6.974 6.106 -6.087 1.00 0.00 C ATOM 424 OE1 GLN A 29 -8.191 6.091 -6.003 1.00 0.00 O ATOM 425 NE2 GLN A 29 -6.245 7.218 -6.134 1.00 0.00 N ATOM 0 H GLN A 29 -3.976 4.098 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.998 5.488 -3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.124 2.898 -5.166 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.534 3.870 -4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.087 5.064 -6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.364 4.288 -7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.229 7.159 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.702 8.129 -6.100 1.00 0.00 H new ATOM 434 N ALA A 30 -5.947 2.436 -2.337 1.00 0.00 N ATOM 435 CA ALA A 30 -6.380 1.630 -1.209 1.00 0.00 C ATOM 436 C ALA A 30 -5.917 2.290 0.092 1.00 0.00 C ATOM 437 O ALA A 30 -6.714 2.494 1.006 1.00 0.00 O ATOM 438 CB ALA A 30 -5.843 0.205 -1.363 1.00 0.00 C ATOM 0 H ALA A 30 -5.363 1.944 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.468 1.567 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.168 -0.400 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.224 -0.230 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.754 0.228 -1.395 1.00 0.00 H new ATOM 444 N LEU A 31 -4.631 2.605 0.133 1.00 0.00 N ATOM 445 CA LEU A 31 -4.053 3.238 1.306 1.00 0.00 C ATOM 446 C LEU A 31 -4.822 4.523 1.618 1.00 0.00 C ATOM 447 O LEU A 31 -5.134 4.797 2.776 1.00 0.00 O ATOM 448 CB LEU A 31 -2.550 3.452 1.113 1.00 0.00 C ATOM 449 CG LEU A 31 -1.657 2.244 1.408 1.00 0.00 C ATOM 450 CD1 LEU A 31 -0.363 2.308 0.594 1.00 0.00 C ATOM 451 CD2 LEU A 31 -1.385 2.117 2.908 1.00 0.00 C ATOM 0 H LEU A 31 -3.973 2.434 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.150 2.589 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.377 3.764 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.235 4.276 1.753 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.187 1.343 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.254 1.439 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.602 2.315 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.183 3.217 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.748 1.251 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.884 3.017 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.328 1.992 3.440 1.00 0.00 H new ATOM 463 N ILE A 32 -5.105 5.276 0.566 1.00 0.00 N ATOM 464 CA ILE A 32 -5.831 6.526 0.713 1.00 0.00 C ATOM 465 C ILE A 32 -7.161 6.257 1.420 1.00 0.00 C ATOM 466 O ILE A 32 -7.481 6.905 2.415 1.00 0.00 O ATOM 467 CB ILE A 32 -5.984 7.220 -0.642 1.00 0.00 C ATOM 468 CG1 ILE A 32 -4.619 7.561 -1.240 1.00 0.00 C ATOM 469 CG2 ILE A 32 -6.885 8.451 -0.528 1.00 0.00 C ATOM 470 CD1 ILE A 32 -4.671 7.546 -2.769 1.00 0.00 C ATOM 0 H ILE A 32 -4.845 5.045 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.271 7.221 1.339 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.471 6.527 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.301 8.544 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.876 6.844 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.977 8.926 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.872 8.149 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.449 9.157 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.687 7.792 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.965 6.555 -3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.398 8.281 -3.116 1.00 0.00 H new ATOM 482 N ALA A 33 -7.900 5.299 0.879 1.00 0.00 N ATOM 483 CA ALA A 33 -9.188 4.937 1.446 1.00 0.00 C ATOM 484 C ALA A 33 -9.037 4.733 2.955 1.00 0.00 C ATOM 485 O ALA A 33 -9.691 5.413 3.744 1.00 0.00 O ATOM 486 CB ALA A 33 -9.723 3.689 0.740 1.00 0.00 C ATOM 0 H ALA A 33 -7.631 4.763 0.054 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.914 5.736 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.689 3.417 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.839 3.895 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.022 2.865 0.876 1.00 0.00 H new ATOM 492 N THR A 34 -8.171 3.795 3.309 1.00 0.00 N ATOM 493 CA THR A 34 -7.927 3.494 4.710 1.00 0.00 C ATOM 494 C THR A 34 -7.417 4.737 5.441 1.00 0.00 C ATOM 495 O THR A 34 -7.844 5.022 6.559 1.00 0.00 O ATOM 496 CB THR A 34 -6.960 2.310 4.776 1.00 0.00 C ATOM 497 OG1 THR A 34 -5.793 2.776 4.104 1.00 0.00 O ATOM 498 CG2 THR A 34 -7.428 1.123 3.932 1.00 0.00 C ATOM 0 H THR A 34 -7.630 3.234 2.651 1.00 0.00 H new ATOM 0 HA THR A 34 -8.847 3.210 5.221 1.00 0.00 H new ATOM 0 HB THR A 34 -6.844 1.994 5.813 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.040 3.482 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.706 0.311 4.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.400 0.783 4.290 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.513 1.429 2.889 1.00 0.00 H new ATOM 506 N GLY A 35 -6.511 5.443 4.781 1.00 0.00 N ATOM 507 CA GLY A 35 -5.938 6.649 5.355 1.00 0.00 C ATOM 508 C GLY A 35 -4.481 6.423 5.764 1.00 0.00 C ATOM 509 O GLY A 35 -4.003 7.019 6.728 1.00 0.00 O ATOM 0 H GLY A 35 -6.159 5.203 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.994 7.463 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.520 6.954 6.224 1.00 0.00 H new ATOM 513 N GLY A 36 -3.815 5.561 5.010 1.00 0.00 N ATOM 514 CA GLY A 36 -2.422 5.249 5.281 1.00 0.00 C ATOM 515 C GLY A 36 -2.303 4.104 6.288 1.00 0.00 C ATOM 516 O GLY A 36 -1.759 4.284 7.377 1.00 0.00 O ATOM 0 H GLY A 36 -4.214 5.069 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.920 4.976 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.916 6.133 5.669 1.00 0.00 H new ATOM 520 N ASP A 37 -2.820 2.951 5.890 1.00 0.00 N ATOM 521 CA ASP A 37 -2.779 1.777 6.744 1.00 0.00 C ATOM 522 C ASP A 37 -2.518 0.537 5.887 1.00 0.00 C ATOM 523 O ASP A 37 -3.285 0.237 4.973 1.00 0.00 O ATOM 524 CB ASP A 37 -4.110 1.577 7.472 1.00 0.00 C ATOM 525 CG ASP A 37 -4.016 0.807 8.791 1.00 0.00 C ATOM 526 OD1 ASP A 37 -3.487 -0.324 8.751 1.00 0.00 O ATOM 527 OD2 ASP A 37 -4.477 1.368 9.809 1.00 0.00 O ATOM 0 H ASP A 37 -3.270 2.805 4.986 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.986 1.922 7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.549 2.555 7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.794 1.049 6.808 1.00 0.00 H new ATOM 532 N VAL A 38 -1.434 -0.152 6.213 1.00 0.00 N ATOM 533 CA VAL A 38 -1.063 -1.353 5.484 1.00 0.00 C ATOM 534 C VAL A 38 -2.030 -2.482 5.845 1.00 0.00 C ATOM 535 O VAL A 38 -2.700 -3.033 4.973 1.00 0.00 O ATOM 536 CB VAL A 38 0.399 -1.705 5.764 1.00 0.00 C ATOM 537 CG1 VAL A 38 0.779 -3.034 5.109 1.00 0.00 C ATOM 538 CG2 VAL A 38 1.331 -0.581 5.306 1.00 0.00 C ATOM 0 H VAL A 38 -0.801 0.099 6.972 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.143 -1.188 4.410 1.00 0.00 H new ATOM 0 HB VAL A 38 0.515 -1.818 6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.823 -3.260 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.147 -3.829 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.638 -2.962 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.364 -0.857 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.209 -0.421 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.084 0.337 5.840 1.00 0.00 H new ATOM 548 N ASP A 39 -2.071 -2.794 7.132 1.00 0.00 N ATOM 549 CA ASP A 39 -2.944 -3.848 7.619 1.00 0.00 C ATOM 550 C ASP A 39 -4.328 -3.690 6.987 1.00 0.00 C ATOM 551 O ASP A 39 -4.817 -4.600 6.319 1.00 0.00 O ATOM 552 CB ASP A 39 -3.106 -3.771 9.139 1.00 0.00 C ATOM 553 CG ASP A 39 -3.037 -5.115 9.866 1.00 0.00 C ATOM 554 OD1 ASP A 39 -1.990 -5.783 9.725 1.00 0.00 O ATOM 555 OD2 ASP A 39 -4.033 -5.445 10.545 1.00 0.00 O ATOM 0 H ASP A 39 -1.514 -2.335 7.852 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.498 -4.806 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.330 -3.118 9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.064 -3.302 9.364 1.00 0.00 H new ATOM 560 N ALA A 40 -4.921 -2.529 7.221 1.00 0.00 N ATOM 561 CA ALA A 40 -6.240 -2.240 6.683 1.00 0.00 C ATOM 562 C ALA A 40 -6.202 -2.363 5.159 1.00 0.00 C ATOM 563 O ALA A 40 -7.038 -3.043 4.566 1.00 0.00 O ATOM 564 CB ALA A 40 -6.687 -0.852 7.145 1.00 0.00 C ATOM 0 H ALA A 40 -4.513 -1.777 7.776 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.972 -2.958 7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.676 -0.635 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.726 -0.826 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.978 -0.104 6.789 1.00 0.00 H new ATOM 570 N ALA A 41 -5.223 -1.693 4.567 1.00 0.00 N ATOM 571 CA ALA A 41 -5.066 -1.719 3.123 1.00 0.00 C ATOM 572 C ALA A 41 -5.093 -3.169 2.637 1.00 0.00 C ATOM 573 O ALA A 41 -5.875 -3.517 1.753 1.00 0.00 O ATOM 574 CB ALA A 41 -3.772 -0.999 2.738 1.00 0.00 C ATOM 0 H ALA A 41 -4.531 -1.129 5.061 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.889 -1.194 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.653 -1.018 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.815 0.035 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.924 -1.500 3.205 1.00 0.00 H new ATOM 580 N VAL A 42 -4.229 -3.977 3.235 1.00 0.00 N ATOM 581 CA VAL A 42 -4.144 -5.381 2.874 1.00 0.00 C ATOM 582 C VAL A 42 -5.555 -5.969 2.792 1.00 0.00 C ATOM 583 O VAL A 42 -5.925 -6.564 1.781 1.00 0.00 O ATOM 584 CB VAL A 42 -3.245 -6.123 3.865 1.00 0.00 C ATOM 585 CG1 VAL A 42 -3.357 -7.638 3.680 1.00 0.00 C ATOM 586 CG2 VAL A 42 -1.792 -5.661 3.738 1.00 0.00 C ATOM 0 H VAL A 42 -3.582 -3.685 3.967 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.686 -5.495 1.891 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.587 -5.883 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.708 -8.141 4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.389 -7.949 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.054 -7.904 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.174 -6.204 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.435 -5.857 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.731 -4.592 3.943 1.00 0.00 H new ATOM 596 N GLU A 43 -6.303 -5.780 3.869 1.00 0.00 N ATOM 597 CA GLU A 43 -7.665 -6.284 3.931 1.00 0.00 C ATOM 598 C GLU A 43 -8.427 -5.911 2.658 1.00 0.00 C ATOM 599 O GLU A 43 -9.207 -6.710 2.140 1.00 0.00 O ATOM 600 CB GLU A 43 -8.386 -5.762 5.175 1.00 0.00 C ATOM 601 CG GLU A 43 -7.711 -6.266 6.452 1.00 0.00 C ATOM 602 CD GLU A 43 -8.742 -6.840 7.427 1.00 0.00 C ATOM 603 OE1 GLU A 43 -9.347 -6.026 8.158 1.00 0.00 O ATOM 604 OE2 GLU A 43 -8.901 -8.080 7.419 1.00 0.00 O ATOM 0 H GLU A 43 -5.992 -5.285 4.705 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.627 -7.371 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.389 -4.672 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.427 -6.084 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.976 -7.031 6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.170 -5.449 6.929 1.00 0.00 H new ATOM 611 N LYS A 44 -8.176 -4.697 2.190 1.00 0.00 N ATOM 612 CA LYS A 44 -8.829 -4.209 0.987 1.00 0.00 C ATOM 613 C LYS A 44 -8.122 -4.784 -0.241 1.00 0.00 C ATOM 614 O LYS A 44 -8.738 -5.482 -1.046 1.00 0.00 O ATOM 615 CB LYS A 44 -8.898 -2.681 0.998 1.00 0.00 C ATOM 616 CG LYS A 44 -10.314 -2.197 1.314 1.00 0.00 C ATOM 617 CD LYS A 44 -10.463 -1.872 2.802 1.00 0.00 C ATOM 618 CE LYS A 44 -11.937 -1.840 3.211 1.00 0.00 C ATOM 619 NZ LYS A 44 -12.421 -0.444 3.295 1.00 0.00 N ATOM 0 H LYS A 44 -7.529 -4.037 2.622 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.863 -4.552 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.202 -2.288 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.585 -2.293 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.540 -1.311 0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.036 -2.963 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.933 -2.617 3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.002 -0.908 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.534 -2.395 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.064 -2.334 4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.423 -0.440 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.863 0.075 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.318 0.016 2.368 1.00 0.00 H new ATOM 633 N LEU A 45 -6.839 -4.471 -0.347 1.00 0.00 N ATOM 634 CA LEU A 45 -6.042 -4.948 -1.464 1.00 0.00 C ATOM 635 C LEU A 45 -6.410 -6.403 -1.763 1.00 0.00 C ATOM 636 O LEU A 45 -6.589 -6.776 -2.921 1.00 0.00 O ATOM 637 CB LEU A 45 -4.552 -4.735 -1.189 1.00 0.00 C ATOM 638 CG LEU A 45 -4.006 -3.339 -1.495 1.00 0.00 C ATOM 639 CD1 LEU A 45 -2.621 -3.144 -0.875 1.00 0.00 C ATOM 640 CD2 LEU A 45 -4.003 -3.070 -3.001 1.00 0.00 C ATOM 0 H LEU A 45 -6.332 -3.893 0.323 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.262 -4.372 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.362 -4.956 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.987 -5.461 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.669 -2.605 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.256 -2.144 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.686 -3.264 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.933 -3.885 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.610 -2.071 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.376 -3.808 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.021 -3.139 -3.385 1.00 0.00 H new ATOM 652 N ARG A 46 -6.511 -7.185 -0.699 1.00 0.00 N ATOM 653 CA ARG A 46 -6.855 -8.591 -0.833 1.00 0.00 C ATOM 654 C ARG A 46 -8.225 -8.741 -1.496 1.00 0.00 C ATOM 655 O ARG A 46 -8.355 -9.417 -2.515 1.00 0.00 O ATOM 656 CB ARG A 46 -6.876 -9.285 0.531 1.00 0.00 C ATOM 657 CG ARG A 46 -5.456 -9.543 1.037 1.00 0.00 C ATOM 658 CD ARG A 46 -5.477 -10.305 2.364 1.00 0.00 C ATOM 659 NE ARG A 46 -4.715 -11.567 2.234 1.00 0.00 N ATOM 660 CZ ARG A 46 -5.227 -12.708 1.753 1.00 0.00 C ATOM 661 NH1 ARG A 46 -6.505 -12.752 1.352 1.00 0.00 N ATOM 662 NH2 ARG A 46 -4.461 -13.804 1.672 1.00 0.00 N ATOM 0 H ARG A 46 -6.361 -6.872 0.260 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.094 -9.061 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.415 -8.667 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.416 -10.229 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.900 -10.114 0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.934 -8.595 1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.045 -9.689 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.506 -10.520 2.654 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.739 -11.568 2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.088 -11.917 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.895 -13.620 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.488 -13.770 1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.851 -14.673 1.306 1.00 0.00 H new ATOM 676 N GLN A 47 -9.214 -8.100 -0.890 1.00 0.00 N ATOM 677 CA GLN A 47 -10.570 -8.154 -1.409 1.00 0.00 C ATOM 678 C GLN A 47 -10.565 -7.971 -2.928 1.00 0.00 C ATOM 679 O GLN A 47 -11.073 -8.819 -3.661 1.00 0.00 O ATOM 680 CB GLN A 47 -11.458 -7.107 -0.734 1.00 0.00 C ATOM 681 CG GLN A 47 -12.288 -7.734 0.389 1.00 0.00 C ATOM 682 CD GLN A 47 -12.767 -6.668 1.377 1.00 0.00 C ATOM 683 OE1 GLN A 47 -13.257 -5.615 1.004 1.00 0.00 O ATOM 684 NE2 GLN A 47 -12.599 -7.000 2.654 1.00 0.00 N ATOM 0 H GLN A 47 -9.103 -7.541 -0.044 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.986 -9.136 -1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.839 -6.306 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.121 -6.656 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -13.147 -8.254 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.691 -8.480 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.182 -7.899 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.887 -6.356 3.391 1.00 0.00 H new ATOM 693 N SER A 48 -9.985 -6.859 -3.356 1.00 0.00 N ATOM 694 CA SER A 48 -9.907 -6.554 -4.774 1.00 0.00 C ATOM 695 C SER A 48 -9.144 -7.660 -5.506 1.00 0.00 C ATOM 696 O SER A 48 -9.672 -8.278 -6.429 1.00 0.00 O ATOM 697 CB SER A 48 -9.235 -5.200 -5.010 1.00 0.00 C ATOM 698 OG SER A 48 -9.983 -4.382 -5.906 1.00 0.00 O ATOM 0 H SER A 48 -9.565 -6.158 -2.745 1.00 0.00 H new ATOM 0 HA SER A 48 -10.922 -6.499 -5.168 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.118 -4.682 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.234 -5.357 -5.412 1.00 0.00 H new ATOM 0 HG SER A 48 -9.522 -3.526 -6.029 1.00 0.00 H new ATOM 704 N SER A 49 -7.912 -7.876 -5.066 1.00 0.00 N ATOM 705 CA SER A 49 -7.071 -8.897 -5.668 1.00 0.00 C ATOM 706 C SER A 49 -6.735 -9.974 -4.635 1.00 0.00 C ATOM 707 O SER A 49 -5.981 -9.723 -3.695 1.00 0.00 O ATOM 708 CB SER A 49 -5.788 -8.288 -6.237 1.00 0.00 C ATOM 709 OG SER A 49 -5.818 -8.214 -7.660 1.00 0.00 O ATOM 0 H SER A 49 -7.477 -7.362 -4.300 1.00 0.00 H new ATOM 0 HA SER A 49 -7.621 -9.352 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.647 -7.289 -5.825 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.932 -8.886 -5.923 1.00 0.00 H new ATOM 0 HG SER A 49 -4.982 -7.818 -7.985 1.00 0.00 H new ATOM 715 N GLY A 50 -7.309 -11.149 -4.843 1.00 0.00 N ATOM 716 CA GLY A 50 -7.080 -12.265 -3.942 1.00 0.00 C ATOM 717 C GLY A 50 -6.964 -13.580 -4.715 1.00 0.00 C ATOM 718 O GLY A 50 -7.973 -14.198 -5.051 1.00 0.00 O ATOM 0 H GLY A 50 -7.933 -11.353 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.168 -12.094 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.898 -12.332 -3.225 1.00 0.00 H new ATOM 722 N PRO A 51 -5.692 -13.980 -4.982 1.00 0.00 N ATOM 723 CA PRO A 51 -5.431 -15.210 -5.709 1.00 0.00 C ATOM 724 C PRO A 51 -5.666 -16.433 -4.820 1.00 0.00 C ATOM 725 O PRO A 51 -6.380 -17.357 -5.206 1.00 0.00 O ATOM 726 CB PRO A 51 -3.992 -15.089 -6.185 1.00 0.00 C ATOM 727 CG PRO A 51 -3.356 -14.014 -5.318 1.00 0.00 C ATOM 728 CD PRO A 51 -4.472 -13.274 -4.599 1.00 0.00 C ATOM 0 HA PRO A 51 -6.105 -15.350 -6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.465 -16.037 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.951 -14.816 -7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.669 -14.460 -4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.774 -13.325 -5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.327 -13.291 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.510 -12.227 -4.899 1.00 0.00 H new ATOM 736 N SER A 52 -5.051 -16.399 -3.647 1.00 0.00 N ATOM 737 CA SER A 52 -5.184 -17.493 -2.700 1.00 0.00 C ATOM 738 C SER A 52 -5.993 -17.037 -1.485 1.00 0.00 C ATOM 739 O SER A 52 -5.433 -16.520 -0.519 1.00 0.00 O ATOM 740 CB SER A 52 -3.813 -18.010 -2.261 1.00 0.00 C ATOM 741 OG SER A 52 -3.058 -18.519 -3.357 1.00 0.00 O ATOM 0 H SER A 52 -4.459 -15.631 -3.331 1.00 0.00 H new ATOM 0 HA SER A 52 -5.710 -18.311 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.258 -17.203 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.943 -18.794 -1.515 1.00 0.00 H new ATOM 0 HG SER A 52 -2.189 -18.838 -3.036 1.00 0.00 H new ATOM 747 N SER A 53 -7.299 -17.246 -1.572 1.00 0.00 N ATOM 748 CA SER A 53 -8.192 -16.863 -0.491 1.00 0.00 C ATOM 749 C SER A 53 -8.795 -18.111 0.157 1.00 0.00 C ATOM 750 O SER A 53 -8.633 -18.333 1.356 1.00 0.00 O ATOM 751 CB SER A 53 -9.301 -15.937 -0.994 1.00 0.00 C ATOM 752 OG SER A 53 -9.989 -15.297 0.077 1.00 0.00 O ATOM 0 H SER A 53 -7.760 -17.675 -2.374 1.00 0.00 H new ATOM 0 HA SER A 53 -7.612 -16.319 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.872 -15.181 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.011 -16.512 -1.589 1.00 0.00 H new ATOM 0 HG SER A 53 -10.688 -14.713 -0.286 1.00 0.00 H new ATOM 758 N GLY A 54 -9.478 -18.894 -0.666 1.00 0.00 N ATOM 759 CA GLY A 54 -10.107 -20.114 -0.188 1.00 0.00 C ATOM 760 C GLY A 54 -11.630 -19.972 -0.163 1.00 0.00 C ATOM 761 O GLY A 54 -12.347 -20.965 -0.054 1.00 0.00 O ATOM 0 H GLY A 54 -9.609 -18.707 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.826 -20.948 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.743 -20.347 0.813 1.00 0.00 H new TER 765 GLY A 54